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(1R,3S,4S,5R)-4,5-(Isopropylidendioxy)-1-(2-methyl-1,3-dithian-2-yl)-1,3-cyclohexandiol
SpectraBase Compound ID 3MkeeksLSWN
InChI InChI=1S/C14H24O4S2/c1-12(2)17-10-8-14(16,7-9(15)11(10)18-12)13(3)19-5-4-6-20-13/h9-11,15-16H,4-8H2,1-3H3/t9-,10+,11-,14+/m0/s1
InChIKey JHDSDCHGBJLORM-BBGACYKPSA-N
Mol Weight 320.46 g/mol
Molecular Formula C14H24O4S2
Exact Mass 320.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewj5yJPzzfy
Name (1R,3S,4S,5R)-4,5-(Isopropylidendioxy)-1-(2-methyl-1,3-dithian-2-yl)-1,3-cyclohexandiol
Alternate Name(s) (3aS,4S,6R,7aR)-2,2-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hexahydrobenzo[d][1,3]dioxole-4,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4S2
InChI InChI=1S/C14H24O4S2/c1-12(2)17-10-8-14(16,7-9(15)11(10)18-12)13(3)19-5-4-6-20-13/h9-11,15-16H,4-8H2,1-3H3/t9-,10+,11-,14+/m0/s1
InChIKey JHDSDCHGBJLORM-BBGACYKPSA-N
Literature Reference DOI 10.1002/cber.19801130528
Molecular Weight 320.462 g/mol
SMILES O[C@]1(C[C@@](C[C@@]2([C@]1(OC(O2)(C)C)[H])[H])(C1(SCCCS1)C)O)[H]
SPLASH splash10-001i-0902000000-a0d24e28a03609adee82
Source of Spectrum K-113-1941-19
Wiley ID 1792734